4-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline

Systemtic Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethyl-aniline Openeye Name: 4-[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]-N,N-diethyl-aniline CAS Name: 4-[5-[(4-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylaniline IUPAC Name: 4-[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]-N,N-diethylaniline Traditional Name: [4-[4-allyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]phenyl]-diethyl-amine Formula: C22H25ClN4S MolecularWeight: 412.9787

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H25ClN4S/c1-4-15-27-21(18-9-13-20(14-10-18)26(5-2)6-3)24-25-22(27)28-16-17-7-11-19(23)12-8-17/h4,7-14H,1,5-6,15-16H2,2-3H3